5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide

C11H14N4O3S — CID 940797

IUPAC5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide
SMILESCc1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H14N4O3S/c1-8-12-11(9-6-4-5-7-10(9)16)15(13-8)19(17,18)14(2)3/h4-7,16H,1-3H3
InChIKeyMVNFRNAIONQIPV-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.61
Rot. Bonds3

About 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide

5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide (PubChem CID 940797) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide
PubChem CID940797
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide
SMILESCc1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H14N4O3S/c1-8-12-11(9-6-4-5-7-10(9)16)15(13-8)19(17,18)14(2)3/h4-7,16H,1-3H3
InChIKeyMVNFRNAIONQIPV-UHFFFAOYSA-N
XLogP0.61
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-phenyl-4H-1,2,4-triazol-3-yl)phenol
CID 677535
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
2-[4-Amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
CID 136502357
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902
4-(1-methyl-1H-1,2,4-triazol-5-yl)phenol
CID 136316379

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide?
The IUPAC name of 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide (CID 940797) is 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide?
The canonical SMILES for 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide is Cc1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1.
What is the InChIKey of 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide?
The InChIKey is MVNFRNAIONQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-8-12-11(9-6-4-5-7-10(9)16)15(13-8)19(17,18)14(2)3/h4-7,16H,1-3H3.
What are the key properties of 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide?
5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-N,N,3-trimethyl-1,2,4-triazole-1-sulfonamide is sourced from PubChem (CID 940797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).